6-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]pyridazin-3-olate

Systemtic Name: 6-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]pyridazin-3-olate Openeye Name: 6-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]pyridazin-3-olate CAS Name: 6-[[[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]carbamoyl]pyridazin-3-olate Traditional Name: 6-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]pyridazin-3-olate Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=NN=C(C=C2)[O-])[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)C2=NN=C(C=C2)[O-])[NH+]3CCCC3

InChI

InChI=1S/C18H22N4O3/c1-25-14-6-4-5-13(11-14)16(22-9-2-3-10-22)12-19-18(24)15-7-8-17(23)21-20-15/h4-8,11,16H,2-3,9-10,12H2,1H3,(H,19,24)(H,21,23)/t16-/m0/s1